N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide

C23H42N4O3 — CID 42881460

IUPACN-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C23H42N4O3/c1-2-3-5-22(28)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)24-10-4-11-25-16-18-30-19-17-25/h20-21H,2-19H2,1H3,(H,24,29)
InChIKeyWCRSSJRKAZTPGD-UHFFFAOYSA-N
MW422.61 g/mol
LogP1.72
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 42881460) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID42881460
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C23H42N4O3/c1-2-3-5-22(28)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)24-10-4-11-25-16-18-30-19-17-25/h20-21H,2-19H2,1H3,(H,24,29)
InChIKeyWCRSSJRKAZTPGD-UHFFFAOYSA-N
XLogP1.72
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-{[butyl(ethyl)amino]sulfonyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3245624
4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
(3R)-3-(morpholine-4-carbonyl)-1,4'-bipiperidine dihydrochloride
CID 23589122
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3415217
[1,4-Bipiperidin]-3-yl(morpholino)methanone
CID 22263098
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 4097871
Cambridge id 6577508
CID 28409524
1-[4-[4-(Morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
CID 42693441
3,3-Dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693454
N-[4-[9-(1-methylpiperidine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
CID 134790054
(3R)-3-(morpholine-4-carbonyl)-1,4'-bipiperidine
CID 23589123
[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone
CID 144642074

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide (CID 42881460) is N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide is CCCCC(=O)N1CCC(N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is WCRSSJRKAZTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-2-3-5-22(28)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)24-10-4-11-25-16-18-30-19-17-25/h20-21H,2-19H2,1H3,(H,24,29).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 422.61 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42881460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).